# generated using pymatgen
data_Lu2Be(SiMo)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61415652
_cell_length_b   6.74827649
_cell_length_c   12.74247036
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu2Be(SiMo)3
_chemical_formula_sum   'Lu8 Be4 Si12 Mo12'
_cell_volume   568.74942169
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Lu  Lu0  1  0.50016299  0.33294896  0.09676235  1.0
  Lu  Lu1  1  0.00016299  0.16705104  0.40323765  1.0
  Lu  Lu2  1  0.49983701  0.66705104  0.59676235  1.0
  Lu  Lu3  1  0.99983701  0.83294896  0.90323765  1.0
  Lu  Lu4  1  0.49983701  0.66705104  0.90323765  1.0
  Lu  Lu5  1  0.99983701  0.83294896  0.59676235  1.0
  Lu  Lu6  1  0.50016299  0.33294896  0.40323765  1.0
  Lu  Lu7  1  0.00016299  0.16705104  0.09676235  1.0
  Be  Be8  1  0.54538947  0.37043763  0.75000000  1.0
  Be  Be9  1  0.04538947  0.12956237  0.75000000  1.0
  Be  Be10  1  0.45461053  0.62956237  0.25000000  1.0
  Be  Be11  1  0.95461053  0.87043763  0.25000000  1.0
  Si  Si12  1  0.66266908  0.04175167  0.54194742  1.0
  Si  Si13  1  0.16266908  0.45824833  0.95805258  1.0
  Si  Si14  1  0.33733092  0.95824833  0.04194742  1.0
  Si  Si15  1  0.83733092  0.54175167  0.45805258  1.0
  Si  Si16  1  0.33733092  0.95824833  0.45805258  1.0
  Si  Si17  1  0.83733092  0.54175167  0.04194742  1.0
  Si  Si18  1  0.66266908  0.04175167  0.95805258  1.0
  Si  Si19  1  0.16266908  0.45824833  0.54194742  1.0
  Si  Si20  1  0.79625545  0.62016214  0.75000000  1.0
  Si  Si21  1  0.29625545  0.87983786  0.75000000  1.0
  Si  Si22  1  0.20374455  0.37983786  0.25000000  1.0
  Si  Si23  1  0.70374455  0.12016214  0.25000000  1.0
  Mo  Mo24  1  0.84124790  0.32602545  0.62743269  1.0
  Mo  Mo25  1  0.34124790  0.17397455  0.87256731  1.0
  Mo  Mo26  1  0.15875210  0.67397455  0.12743269  1.0
  Mo  Mo27  1  0.65875210  0.82602545  0.37256731  1.0
  Mo  Mo28  1  0.15875210  0.67397455  0.37256731  1.0
  Mo  Mo29  1  0.65875210  0.82602545  0.12743269  1.0
  Mo  Mo30  1  0.84124790  0.32602545  0.87256731  1.0
  Mo  Mo31  1  0.34124790  0.17397455  0.62743269  1.0
  Mo  Mo32  1  0.66770411  0.01178379  0.75000000  1.0
  Mo  Mo33  1  0.16770411  0.48821621  0.75000000  1.0
  Mo  Mo34  1  0.33229589  0.98821621  0.25000000  1.0
  Mo  Mo35  1  0.83229589  0.51178379  0.25000000  1.0